REMARK  Name = BDB063569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.090  -2.792  -1.952  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.542  -1.581  -1.348  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -0.163  -0.308  -1.108  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1       -1.456  -0.114  -1.399  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        0.868   0.568  -0.492  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        0.712   1.713  -0.110  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        2.004  -0.263  -0.462  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        1.790  -1.541  -0.973  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.297   0.054   0.029  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.322  -0.908  -0.015  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        5.608  -0.625   0.462  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        5.895   0.633   0.995  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.887   1.600   1.046  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        3.602   1.311   0.567  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.239   0.985   1.514  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        7.562   2.057   1.990  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        8.119  -0.027   1.411  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.945   0.345   1.785  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.158   1.108  -1.209  0.00  0.00    +0.047 A 
ATOM     20  N   LIG    1       -3.469   1.131  -0.714  0.00  0.00    -0.316 N 
ATOM     21  C   LIG    1       -3.953   2.418  -0.890  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1       -2.950   3.224  -1.373  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.823   2.404  -1.569  0.00  0.00    +0.027 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.223   0.074  -0.110  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -3.591  -0.930   0.636  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -4.343  -1.950   1.226  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.728  -1.971   1.083  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.367  -0.968   0.358  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.621   0.057  -0.231  0.00  0.00    +0.026 A 
ENDBRANCH  20  24
ENDBRANCH   4  19
TORSDOF 5